Botanical Name Plant's Common Name Plant Family   

   MMP-AC0078 : Gossypol

 
Compound Name  :

Gossypol
 
  Compound Class  : Terpenoids  
  Synonyms  : gossypol; 303-45-7; (-)-Gossypol; 90141-22-3; Pogosin; (+)-Gossypol; Tash 1; (R)-(-)-Gossypol; (R)-Gossypol;

 
  Compound Extracted from  : Gossypol is extracted / reported from 2 Plant(s) of Melghat Flora as below


 
 
Molecular Formula  :

C30H30O8
 
  Molecular Weight  : 518.6  
  InChi Key  :  
  IUPAC  :  
  InChi  :  
  Hydrogen Bond Donor count  : 6  
  Hydrogen Bond Acceptor count  : 8  
  Rotational Bond count  : 5  
  TPSA  : 156  
  LogP Value  :

6.9

 
 
Lipinski Rule of Five  :

No
 
  Ghose Filter  : No  
  Veber Filter  : No  
  Muegge Filter  :

No

 
 
PubChem CID  :

3503
 
  Drugbank ID  : DB13044  
  Super Natural  : -  
  CTD  : D006072  
  HIT  : C0269  
  NCI-60 GI50 data  :

303-45-7

 
 
Reference(s)  :

https://www.ncbi.nlm.nih.gov/pubmed/22515600


 

Compound_ID Cell Lines Cancer Type IC50 Value EC50 Value ED50 Value GI50 Value References
MMP-AC0078 UM-SCC-1 Head and Neck 4 µM - - - 16611409
MMP-AC0078 UM-SCC-17B Oral 4 µM - - - 16611409

Compound_ID Target Gene_Name Gene_ID Cancer Cell_lines IC50 Value EC50 Value ED50 Value GI50 Value Remarks References
MMP-AC0078 BBC3 BCL2 binding component 3 27113 Prostate Cancer PC-3 - - - - PC-3 cells treated with gossypol for 24 and 48 h showed a dose-dependent increase of Puma. 18645028
MMP-AC0078 BCL2 B-cell CLL/lymphoma 2 596 Prostate Cancer PC-3 - - - - Protein expression of Bcl-2 was higher in PC-3 cells. 18645028
MMP-AC0078 BCL2L1 BCL2-like 1 598 Prostate Cancer PC-3 - - - - Protein expression of Bcl-xL was higher in PC-3 cells. 18645028
MMP-AC0078 BCL2L11 BCL2-like 11 (apoptosis facilitator) 10018 Prostate Cancer PC-3 - - - - (-)-Gossypol-treated PC-3 cells showed a decrease of Bim proteins. 18645028
MMP-AC0078 MCL1 myeloid cell leukemia sequence 1 (BCL2-related) 4170 Prostate Cancer PC-3 - - - - PC-3 cells treated with gossypol for 24 and 48 h showed a dose-dependent increase of Mcl-1. 18645028
MMP-AC0078 PMAIP1 phorbol-12-myristate-13-acetate-induced protein 1 5366 Prostate Cancer PC-3 - - - - PC-3 cells treated with gossypol for 24 and 48 h showed a dose-dependent increase of Noxa. 18645028